SCHEMBL28614902

SCHEMBL28614902

O=C(Nc1ccc(C=Cc2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TP53 P04637 2/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
RAD51 Q06609 1/20 0.40
LMNA P02545 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MITF O75030 1/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18591561 1.00 MAPT (0.41) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL18579331 0.88 PTGS2 (0.43) MAPTMEN1KMT2AHTTNPC1
SCHEMBL18579333 0.88 PTGS2 (0.43) MAPTMEN1KMT2AHTTNPC1
SCHEMBL18579349 0.83 PTGS2 (0.37) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL18579351 0.83 PTGS2 (0.37) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL18579381 0.83 EPHX2 (0.43) MAPTMEN1KMT2ALMNANPC1
SCHEMBL18579382 0.83 EPHX2 (0.43) MAPTMEN1KMT2ALMNANPC1
SCHEMBL18591544 0.82 CA12 (0.40) MAPTMEN1KMT2ALMNANPC1
SCHEMBL28618859 0.82 CA12 (0.40) MAPTMEN1KMT2ALMNANPC1
SCHEMBL28629677 0.79 CYP2D6 (0.36) KMT2ATP53SMN1; SMN2CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed